Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acetic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 2/20 | 0.38 |
| ▸ | CNR2 | P34972 | 2/20 | 0.38 |
| ▸ | MAOB | P27338 | 2/20 | 0.36 |
| ▸ | EDNRB | P24530 | 4/20 | 0.36 |
| ▸ | EDNRA | P25101 | 4/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | PPARD | Q03181 | 1/20 | 0.35 |
| ▸ | PPARA | Q07869 | 1/20 | 0.35 |
| ▸ | EGLN1 | Q9GZT9 | 2/20 | 0.35 |
| ▸ | TPH1 | P17752 | 2/20 | 0.35 |
| ▸ | TPH2 | Q8IWU9 | 2/20 | 0.35 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.35 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL7851658 | 0.96 | CNR1 (0.40) | CNR1CNR2MAOBPPARGPPARD | |
| Acetic Acid SCHEMBL7659558 | 0.94 | EDNRB (0.39) | CNR1CNR2MAOBEDNRBEDNRA | |
| Acetic Acid SCHEMBL7654019 | 0.91 | EGLN1 (0.40) | CNR1CNR2PPARGPPARDPPARA | |
| Acetic Acid SCHEMBL7659530 | 0.90 | CNR1 (0.37) | CNR1CNR2MAOBEDNRBEDNRA | |
| Acetic Acid SCHEMBL7817717 | 0.88 | EGLN1 (0.40) | CNR1CNR2MAOBPPARGPPARD | |
| Acetic Acid SCHEMBL7837822 | 0.88 | CHEK1 (0.38) | CNR1CNR2MAOBPPARGPPARD | |
| Acetic Acid SCHEMBL7817718 | 0.88 | CAMK2D (0.39) | CNR1CNR2PPARGPPARDPPARA | |
| Acetic Acid SCHEMBL7661729 | 0.88 | MC4R (0.38) | CNR1CNR2MAOBPPARGPPARD | |
| Acetic Acid SCHEMBL7663916 | 0.88 | MC4R (0.38) | CNR1CNR2MAOBPPARGPPARD | |
| Acetic Acid SCHEMBL7658784 | 0.88 | CHEK1 (0.37) | CNR1CNR2PPARGPPARDPPARA |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6458792-B1 | MEDICAMENT FOR THE TREATMENT OF INFLAMMATORY, IMMUNOLOGICAL, BRONCHOPULMONARY, CARDIOVASCULAR, ONCOLOGICAL OR CNS-DEGENERATIVE DISORDERS. | ASTRAZENECA AB (SE) | 2002-10-01 | — | — | US | disclosed |
| EP-1071683-A1 | NEW COMPOUNDS | AstraZeneca AB (SE) | 2001-01-31 | — | — | EP | disclosed |
| WO-1999046264-A1 | NEW COMPOUNDS | ASTRAZENECA AB (SE) | 1999-09-16 | — | — | WO | disclosed |